Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ADP_A_13(3C7N) / Model_1(3C7N/A) = [6.8] Download860.972.82MSVVGIDLGFLNCYIAVARSGGIETIANEYSDRCTPACISLGSRTRAIGNAAKSQIVTNVRNTIHGFKKLHGRSFDDPIVQTERIRLPYELQKMPNGSAGVKVRYLEEERPFAIEQVTGMLLAKLKETSENALKKPVADCVISIPSFFTDAERRSVMAAAQVAGLNCLRLMNETTAVALAYGIYKQDLPPLDEKPRNVVFIDMGHSAYQVLVCAFNKGKLKVLATTFDPYLGGRNFDEALVDYFCDEFKTKYKINVKENSRALLRLYQECEKLKKLMSANASDLPLNIECFMNDLDVSSKMNRAQFEQLCASLLARVEPPLKAVMEQANLQREDISSIEIVGGATRIPAVKEQITKFFLKDISTTLNADEAVARGCALQCAILSPAFKVREFSITDLVPYSITLRWKTSFEDGSGECEVFCKNHPAPFSKVITFHKKEPFELEAFYTNLHEVPYPDARIGSFTIQNVFPQSDGDSSKVKVKVRVNIHGIFSVASASVIEKQNLEGDHSDAPMETETSFKNENKDNMDKMQVDQEEGHQKCHAEHTPEEEIDHTGAKTKSAVSDKQDRLNQTLKKGKVKSIDLPIQSSLCRQLGQDLLNSYIENEGKMIMQDKLEKERNDAKNAVEEYVYDFRDRLGTVYEKFITPEDLSKLSAVLEDTENWLYEDGEDQPKQVYVDKLQELKKYGQPIQMKYMEHEERPKALNDLGKKIQLVMKVIEAYRNKDERYDHLDPTEMEKVEKCISDAMSWLNSKMNAQNKLSLTQDPVVKVSEIVAKSKELDNFCNPIIYKPKPKAEVPEDKPKANSEHNGPMDGQSGTETKSDSTKDSSQHTKSSGEMEVD
Consensus
[pKd Mean = 6.80]
-860
(s=0)
2
(s=0)
MSVVGIDLGFLNCYIAVARSGGIETIANEYSDRCTPACISLGSRTRAIGNAAKSQIVTNVRNTIHGFKKLHGRSFDDPIVQTERIRLPYELQKMPNGSAGVKVRYLEEERPFAIEQVTGMLLAKLKETSENALKKPVADCVISIPSFFTDAERRSVMAAAQVAGLNCLRLMNETTAVALAYGIYKQDLPPLDEKPRNVVFIDMGHSAYQVLVCAFNKGKLKVLATTFDPYLGGRNFDEALVDYFCDEFKTKYKINVKENSRALLRLYQECEKLKKLMSANASDLPLNIECFMNDLDVSSKMNRAQFEQLCASLLARVEPPLKAVMEQANLQREDISSIEIVGGATRIPAVKEQITKFFLKDISTTLNADEAVARGCALQCAILSPAFKVREFSITDLVPYSITLRWKTSFEDGSGECEVFCKNHPAPFSKVITFHKKEPFELEAFYTNLHEVPYPDARIGSFTIQNVFPQSDGDSSKVKVKVRVNIHGIFSVASASVIEKQNLEGDHSDAPMETETSFKNENKDNMDKMQVDQEEGHQKCHAEHTPEEEIDHTGAKTKSAVSDKQDRLNQTLKKGKVKSIDLPIQSSLCRQLGQDLLNSYIENEGKMIMQDKLEKERNDAKNAVEEYVYDFRDRLGTVYEKFITPEDLSKLSAVLEDTENWLYEDGEDQPKQVYVDKLQELKKYGQPIQMKYMEHEERPKALNDLGKKIQLVMKVIEAYRNKDERYDHLDPTEMEKVEKCISDAMSWLNSKMNAQNKLSLTQDPVVKVSEIVAKSKELDNFCNPIIYKPKPKAEVPEDKPKANSEHNGPMDGQSGTETKSDSTKDSSQHTKSSGEMEVD



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ASP7CG812[P], 6[O],
ASP7OD2816[O], 2[P],
ASP7OD1816[O], 2[P],
PHE10CE1111[O],
PHE10CZ111[O],
PHE10CG514[O], 1[P],
PHE10CD2511[P], 4[O],
PHE10CD1312[O], 1[P],
PHE10CE2212[O],
LEU11CD11515[C], 2[P], 8[O],
LEU11CG1916[C], 2[P], 1[N], 10[O],
LEU11CD222110[O], 2[P], 8[C], 2[N],
ASN12OD11318[O], 2[P], 3[C],
ASN12CG1619[O], 5[C], 2[P],
ASN12ND220110[O], 2[P], 6[C], 2[N],
CYS13SG111[O],
TYR14CE11011[C], 2[P], 7[O],
TYR14CZ916[O], 1[C], 2[P],
TYR14CD1816[O], 2[P],
TYR14CD2111[O],
TYR14CE2511[P], 4[O],
TYR14CG413[O], 1[P],
CYS34SG312[O], 1[P],
LYS68CG311[P], 2[O],
LYS68CE514[O], 1[P],
LYS68CD413[O], 1[P],
LYS68NZ611[P], 5[O],
LYS69CE111[O],
LYS69NZ111[O],
GLU173CG111[O],
GLU173OE1511[P], 4[O],
GLU173OE2411[P], 3[O],
GLU173CD413[O], 1[P],
ASP202CG812[P], 6[O],
ASP202OD1912[P], 7[O],
ASP202OD21017[O], 1[C], 2[P],
HIS205CD21815[C], 2[P], 1[N], 10[O],
HIS205CE11217[O], 1[P], 4[C],
HIS205ND11712[P], 5[C], 10[O],
HIS205CG1815[C], 2[P], 1[N], 10[O],
HIS205NE21415[C], 2[P], 7[O],
SER206OG511[P], 4[O],
GLN209NE2111[O],
ARG234CG111[O],
ARG234CD111[O],
PHE236CE2211[C], 1[N],
PHE236CD2211[N], 1[C],
PHE236CG411[O], 2[C], 1[N],
PHE236CD1311[N], 1[C], 1[O],
ASP237OD11113[O], 6[C], 2[N],
ASP237OD21113[O], 2[N], 6[C],
ASP237CG1013[O], 2[N], 5[C],
TYR267CZ212[O],
TYR267CE2111[O],
GLU271OE11413[O], 8[C], 3[N],
GLU271OE21513[N], 8[C], 4[O],
GLU271CG1213[O], 2[N], 7[C],
GLU271CD1413[N], 8[C], 3[O],
LYS274NZ19110[C], 5[N], 4[O],
LYS274CD1613[O], 9[C], 4[N],
LYS274CG1618[C], 5[N], 3[O],
LYS274CE18110[C], 5[N], 3[O],
LYS275CD1813[O], 10[C], 5[N],
LYS275NZ19110[C], 5[N], 4[O],
LYS275CE19110[C], 5[N], 4[O],
LYS275CG1815[N], 10[C], 3[O],
SER278OG1115[N], 6[C],
PHE306CZ311[C], 2[N],
PHE306CE2311[C], 2[N],
PHE306CE1211[N], 1[C],
VAL341CG2111[O],
THR345OG1313[O],
ARG346NE1412[O], 5[N], 7[C],
ARG346CZ1919[C], 1[P], 5[N], 4[O],
ARG346CG1215[N], 6[C], 1[O],
ARG346CD1615[N], 9[C], 2[O],
ILE347CD11214[N], 6[C], 2[O],
ILE347CG2512[N], 3[C],
ILE347CG11315[N], 6[C], 2[O],
PRO348CG111[N],
PRO348CD513[N], 2[C],
VAL350CG2111[C],
ASP369OD2913[O], 1[P], 3[C], 2[N],
ASP369OD11516[O], 2[P], 5[C], 2[N],
ASP369CG912[C], 1[P], 1[N], 5[O],
VAL372CG2212[O],
VAL372CG1111[O],
Total = 87



Download csv file of statistical distribution of contacts